3-hydroxy-2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-one

C15H12N4O3 — CID 135510950

IUPAC3-hydroxy-2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(N/N=C/c2ccc(O)cc2)n1O
InChIInChI=1S/C15H12N4O3/c20-11-7-5-10(6-8-11)9-16-18-15-17-13-4-2-1-3-12(13)14(21)19(15)22/h1-9,20,22H,(H,17,18)/b16-9+
InChIKeyDFCLAOOVFIWIBJ-CXUHLZMHSA-N
MW296.29 g/mol
LogP1.79
Rot. Bonds3

About 3-hydroxy-2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-one

3-hydroxy-2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-one (PubChem CID 135510950) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 3-hydroxy-2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-one
PubChem CID135510950
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name3-hydroxy-2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(N/N=C/c2ccc(O)cc2)n1O
InChIInChI=1S/C15H12N4O3/c20-11-7-5-10(6-8-11)9-16-18-15-17-13-4-2-1-3-12(13)14(21)19(15)22/h1-9,20,22H,(H,17,18)/b16-9+
InChIKeyDFCLAOOVFIWIBJ-CXUHLZMHSA-N
XLogP1.79
TPSA99.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-one?
The IUPAC name of 3-hydroxy-2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-one (CID 135510950) is 3-hydroxy-2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-one.
What is the SMILES notation for 3-hydroxy-2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-one?
The canonical SMILES for 3-hydroxy-2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-one is O=c1c2ccccc2nc(N/N=C/c2ccc(O)cc2)n1O.
What is the InChIKey of 3-hydroxy-2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-one?
The InChIKey is DFCLAOOVFIWIBJ-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H12N4O3/c20-11-7-5-10(6-8-11)9-16-18-15-17-13-4-2-1-3-12(13)14(21)19(15)22/h1-9,20,22H,(H,17,18)/b16-9+.
What are the key properties of 3-hydroxy-2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-one?
3-hydroxy-2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-one has a molecular weight of 296.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-one is sourced from PubChem (CID 135510950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).